acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol

C21H45NO5 — CID 170851878

IUPACacetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol
SMILESCC(=O)O.CCCCCCCCCCCCOCCCNCCOCCO
InChIInChI=1S/C19H41NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-13-20-14-18-23-19-15-21;1-2(3)4/h20-21H,2-19H2,1H3;1H3,(H,3,4)
InChIKeyXRWOMJIBCXXTRW-UHFFFAOYSA-N
MW391.59 g/mol
LogP4.00
Rot. Bonds20

About acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol

acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol (PubChem CID 170851878) has the molecular formula C21H45NO5 and a molecular weight of 391.59 g/mol. Its IUPAC name is acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol.

Molecular Properties

Compound Nameacetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol
PubChem CID170851878
Molecular FormulaC21H45NO5
Molecular Weight391.59 g/mol
Exact Mass391.33
IUPAC Nameacetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol
SMILESCC(=O)O.CCCCCCCCCCCCOCCCNCCOCCO
InChIInChI=1S/C19H41NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-13-20-14-18-23-19-15-21;1-2(3)4/h20-21H,2-19H2,1H3;1H3,(H,3,4)
InChIKeyXRWOMJIBCXXTRW-UHFFFAOYSA-N
XLogP4.00
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.59
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(heptylamino)ethoxy]ethanol
CID 4712323
2-[2-(dodecylamino)ethoxy]ethanol
CID 4546884
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(hexadecylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101188232
bis(2-octoxy-N-(2-octoxyethyl)ethanamine);oxalic acid
CID 171700708
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
5-(2-docosoxyethylamino)pentanoic acid
CID 155437408
bis(2-methylprop-2-enoic acid);2-pentoxyethanol
CID 22218874
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
2-heptoxyethanol
CID 23889
2-dodecoxyethanol
CID 24750

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol?
The IUPAC name of acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol (CID 170851878) is acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol.
What is the SMILES notation for acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol?
The canonical SMILES for acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol is CC(=O)O.CCCCCCCCCCCCOCCCNCCOCCO.
What is the InChIKey of acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol?
The InChIKey is XRWOMJIBCXXTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-13-20-14-18-23-19-15-21;1-2(3)4/h20-21H,2-19H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol?
acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol has a molecular weight of 391.59 g/mol, XLogP of 4.00, 20 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol is sourced from PubChem (CID 170851878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).